2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine

C26H22ClFN2O — CID 172604933

IUPAC2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine
SMILESNCC(c1ccccc1)c1ccc(Cl)c(-c2cccc(OCc3ccccn3)c2F)c1
InChIInChI=1S/C26H22ClFN2O/c27-24-13-12-19(23(16-29)18-7-2-1-3-8-18)15-22(24)21-10-6-11-25(26(21)28)31-17-20-9-4-5-14-30-20/h1-15,23H,16-17,29H2
InChIKeyYUWIGCRNCHVXEV-UHFFFAOYSA-N
MW432.93 g/mol
LogP6.21
Rot. Bonds7

About 2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine

2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine (PubChem CID 172604933) has the molecular formula C26H22ClFN2O and a molecular weight of 432.93 g/mol. Its IUPAC name is 2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine.

Molecular Properties

Compound Name2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine
PubChem CID172604933
Molecular FormulaC26H22ClFN2O
Molecular Weight432.93 g/mol
Exact Mass432.14
IUPAC Name2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine
SMILESNCC(c1ccccc1)c1ccc(Cl)c(-c2cccc(OCc3ccccn3)c2F)c1
InChIInChI=1S/C26H22ClFN2O/c27-24-13-12-19(23(16-29)18-7-2-1-3-8-18)15-22(24)21-10-6-11-25(26(21)28)31-17-20-9-4-5-14-30-20/h1-15,23H,16-17,29H2
InChIKeyYUWIGCRNCHVXEV-UHFFFAOYSA-N
XLogP6.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.93
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine?
The IUPAC name of 2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine (CID 172604933) is 2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine.
What is the SMILES notation for 2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine?
The canonical SMILES for 2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine is NCC(c1ccccc1)c1ccc(Cl)c(-c2cccc(OCc3ccccn3)c2F)c1.
What is the InChIKey of 2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine?
The InChIKey is YUWIGCRNCHVXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN2O/c27-24-13-12-19(23(16-29)18-7-2-1-3-8-18)15-22(24)21-10-6-11-25(26(21)28)31-17-20-9-4-5-14-30-20/h1-15,23H,16-17,29H2.
What are the key properties of 2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine?
2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine has a molecular weight of 432.93 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-[2-fluoro-3-(pyridin-2-ylmethoxy)phenyl]phenyl]-2-phenylethanamine is sourced from PubChem (CID 172604933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).